| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:37 UTC |
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| Update Date | 2025-03-25 00:53:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200386 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H27N4O11P2S+ |
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| Molecular Mass | 557.0867 |
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| SMILES | Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C3O)c2C)c(N)n1 |
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| InChI Key | VQDJCFROIYPLNX-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | thiamine phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonoalkyl phosphatesmonosaccharidesorganic cationsorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundsprimary alcoholsprimary aminessecondary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compoundmonosaccharidesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationprimary alcoholimidolactamthiamine-phosphateazolealcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphate4,5-disubstituted 1,3-thiazoleoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundthiazoleorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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